DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL1683116_dpp4

Atoms: 225
Models: 9
Best Energy: -8.673 kcal/mol

Binding Energies:
  • Pose 1: -8.673 kcal/mol
  • Pose 2: -8.127 kcal/mol
  • Pose 3: -8.1 kcal/mol
  • Pose 4: -7.953 kcal/mol
  • Pose 5: -7.283 kcal/mol
  • Pose 6: -7.254 kcal/mol
  • Pose 7: -7.253 kcal/mol
  • Pose 8: -7.147 kcal/mol
  • Pose 9: -7.1 kcal/mol
CHEMBL1683116_dpp4
Energy Plot
RMSD Scatter Plot